Vitas-M small molecule compound
8-(azepan-1-yl)-1-benzyl-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK002586
SMILES Cn1c(nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C)N1CCCCCC1
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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.
We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C20H25N5O2 MW 367.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H25N5O2/c1-22-16-17(21-19(22)24-12-8-3-4-9-13-24)23(2)20(27)25(18(16)26)14-15-10-6-5-7-11-15/h5-7,10-11H,3-4,8-9,12-14H2,1-2H3InChIKey
GUXWGJJTPYDLAW-UHFFFAOYSA-NSynonyms
303970-04-9303970049
8(azepan1yl)1benzyl37dimethyl1Hpurine26(3H7H)dione
8(AZEPAN1YL)1BENZYL37DIMETHYL37DIHYDRO1HPURINE26DIONE
8(AZEPAN1YL)1BENZYL37DIMETHYLPURINE26DIONE
8AZAPERHYDROEPINYL37DIMETHYL1BENZYL137TRIHYDROPURINE26DIONE
8AZEPAN1YL1BENZYL37DIMETHYL37DIHYDROPURINE26DIONE
Cn1c(nc2c1c(=O)n(Cc1ccccc1)c(=O)n2C)N1CCCCCC1
CN1C2=C(N=C1N3CCCCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C
InChI=1SC20H25N5O2c1221617(2119(22)241283491324)23(2)20(27)25(18(16)26)1415106571115h571011H34891214H212H3
MFCD01142848
STK002586
ZINC000000827974
ZINC00827974
ZINC827974
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